Toward 3D Retrieval of Exoplanet Atmospheres: Assessing Thermochemical Equilibrium Estimation Methods

Characterizing exoplanetary atmospheres via Bayesian retrievals requires assuming some chemistry model, such as thermochemical equilibrium or parameterized abundances. The higher-resolution data offered by upcoming telescopes enable more complex chemistry models within retrieval frameworks. Yet many...

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Main Authors: Michael D. Himes, Joseph Harrington, Atılım Güneş Baydin
Format: Article
Language:English
Published: IOP Publishing 2023-01-01
Series:The Planetary Science Journal
Subjects:
Online Access:https://doi.org/10.3847/PSJ/acc939
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author Michael D. Himes
Joseph Harrington
Atılım Güneş Baydin
author_facet Michael D. Himes
Joseph Harrington
Atılım Güneş Baydin
author_sort Michael D. Himes
collection DOAJ
description Characterizing exoplanetary atmospheres via Bayesian retrievals requires assuming some chemistry model, such as thermochemical equilibrium or parameterized abundances. The higher-resolution data offered by upcoming telescopes enable more complex chemistry models within retrieval frameworks. Yet many chemistry codes that model more complex processes like photochemistry and vertical transport are computationally expensive, and directly incorporating them into a 1D retrieval model can result in prohibitively long execution times. Additionally, phase-curve observations with upcoming telescopes motivate 2D and 3D retrieval models, further exacerbating the lengthy runtime for retrieval frameworks with complex chemistry models. Here we compare thermochemical equilibrium approximation methods based on their speed and accuracy with respect to a Gibbs energy-minimization code. We find that, while all methods offer orders-of-magnitude reductions in computational cost, neural network surrogate models perform more accurately than the other approaches considered, achieving a median absolute dex error of <0.03 for the phase space considered. While our results are based on a 1D chemistry model, our study suggests that higher-dimensional chemistry models could be incorporated into retrieval models via this surrogate modeling approach.
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spelling doaj.art-6f71bdc1a7f44aefa931e76cf3e357fc2024-02-03T07:36:51ZengIOP PublishingThe Planetary Science Journal2632-33382023-01-01447410.3847/PSJ/acc939Toward 3D Retrieval of Exoplanet Atmospheres: Assessing Thermochemical Equilibrium Estimation MethodsMichael D. Himes0https://orcid.org/0000-0002-9338-8600Joseph Harrington1https://orcid.org/0000-0002-8955-8531Atılım Güneş Baydin2https://orcid.org/0000-0001-9854-8100Planetary Sciences Group, Department of Physics, University of Central Florida , USA ; mhimes@knights.ucf.eduPlanetary Sciences Group, Department of Physics and Florida Space Institute, University of Central Florida , USADepartment of Computer Science, University of Oxford , UKCharacterizing exoplanetary atmospheres via Bayesian retrievals requires assuming some chemistry model, such as thermochemical equilibrium or parameterized abundances. The higher-resolution data offered by upcoming telescopes enable more complex chemistry models within retrieval frameworks. Yet many chemistry codes that model more complex processes like photochemistry and vertical transport are computationally expensive, and directly incorporating them into a 1D retrieval model can result in prohibitively long execution times. Additionally, phase-curve observations with upcoming telescopes motivate 2D and 3D retrieval models, further exacerbating the lengthy runtime for retrieval frameworks with complex chemistry models. Here we compare thermochemical equilibrium approximation methods based on their speed and accuracy with respect to a Gibbs energy-minimization code. We find that, while all methods offer orders-of-magnitude reductions in computational cost, neural network surrogate models perform more accurately than the other approaches considered, achieving a median absolute dex error of <0.03 for the phase space considered. While our results are based on a 1D chemistry model, our study suggests that higher-dimensional chemistry models could be incorporated into retrieval models via this surrogate modeling approach.https://doi.org/10.3847/PSJ/acc939Exoplanet atmospheric compositionExoplanet atmospheresNeural networksRegressionChemical abundances
spellingShingle Michael D. Himes
Joseph Harrington
Atılım Güneş Baydin
Toward 3D Retrieval of Exoplanet Atmospheres: Assessing Thermochemical Equilibrium Estimation Methods
The Planetary Science Journal
Exoplanet atmospheric composition
Exoplanet atmospheres
Neural networks
Regression
Chemical abundances
title Toward 3D Retrieval of Exoplanet Atmospheres: Assessing Thermochemical Equilibrium Estimation Methods
title_full Toward 3D Retrieval of Exoplanet Atmospheres: Assessing Thermochemical Equilibrium Estimation Methods
title_fullStr Toward 3D Retrieval of Exoplanet Atmospheres: Assessing Thermochemical Equilibrium Estimation Methods
title_full_unstemmed Toward 3D Retrieval of Exoplanet Atmospheres: Assessing Thermochemical Equilibrium Estimation Methods
title_short Toward 3D Retrieval of Exoplanet Atmospheres: Assessing Thermochemical Equilibrium Estimation Methods
title_sort toward 3d retrieval of exoplanet atmospheres assessing thermochemical equilibrium estimation methods
topic Exoplanet atmospheric composition
Exoplanet atmospheres
Neural networks
Regression
Chemical abundances
url https://doi.org/10.3847/PSJ/acc939
work_keys_str_mv AT michaeldhimes toward3dretrievalofexoplanetatmospheresassessingthermochemicalequilibriumestimationmethods
AT josephharrington toward3dretrievalofexoplanetatmospheresassessingthermochemicalequilibriumestimationmethods
AT atılımgunesbaydin toward3dretrievalofexoplanetatmospheresassessingthermochemicalequilibriumestimationmethods